(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

C10H10O3 — CID 15696258

IUPAC(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyHLYJBRIRRUNJAC-IUCAKERBSA-N
MW178.19 g/mol
LogP0.77
Rot. Bonds1

About (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 15696258) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID15696258
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyHLYJBRIRRUNJAC-IUCAKERBSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
[(1R,2S)-1-carboxy-2,3-dihydro-1H-inden-2-yl]-hydroxy-oxophosphanium
CID 7720814
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
(1S,2S)-2-[(dimethylamino)methyl-hydroxyphosphoryl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 7714837
CID 87918176
CID 87918176
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
CID 87579467
CID 173274923
CID 173274923
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 15696258) is (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is HLYJBRIRRUNJAC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 15696258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).